2-cycloheptyl-4-(3-cyclopentyloxy-4-methoxy-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 2-cycloheptyl-4-(3-cyclopentyloxy-4-methoxy-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 2-cycloheptyl-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 2-cycloheptyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 2-cycloheptyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 2-cycloheptyl-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OC5CCCC5

InChI

InChI=1S/C27H36N2O3/c1-31-24-17-16-19(18-25(24)32-21-12-6-7-13-21)26-22-14-8-9-15-23(22)27(30)29(28-26)20-10-4-2-3-5-11-20/h8-9,16-18,20-23H,2-7,10-15H2,1H3